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141693-21-2 | Ethanethione, 1,2-diphenyl-2-(phenylamino)-2-(phenylthio)-
CAS No: 141693-21-2 Catalog No: AG001GWM MDL No:
Product Description
Catalog Number:
AG001GWM
Chemical Name:
Ethanethione, 1,2-diphenyl-2-(phenylamino)-2-(phenylthio)-
CAS Number:
141693-21-2
Molecular Formula:
C26H21NS2
Molecular Weight:
411.5816
IUPAC Name:
2-anilino-1,2-diphenyl-2-phenylsulfanylethanethione
InChI:
InChI=1S/C26H21NS2/c28-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22,27-23-17-9-3-10-18-23)29-24-19-11-4-12-20-24/h1-20,27H
InChI Key:
MNGPJAURGLHPGM-UHFFFAOYSA-N
SMILES:
S=C(C(c1ccccc1)(Sc1ccccc1)Nc1ccccc1)c1ccccc1
Properties
Complexity:
497
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.112g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
411.581g/mol
Monoisotopic Mass:
411.112g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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